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4-(chloromethyl)benzaldehyde
4-(chloromethyl)benzaldehyde
ID: BP-11988
CAS:73291-09-5
Supplier:BroadPharm

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SMILES:c1c(ccc(c1)C=O)CCl	
FORMULA: C8H7ClO
MASS: 154.5936
EXACT MASS: 154.0185425
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5999     0.0000 
   C   3    1.0391     0.6000     0.0000 
   C   4    1.1999     1.0392     0.6000     0.0000 
   C   5    1.0392     1.1999     1.0391     0.5999     0.0000 
   C   6    0.6000     1.0391     1.1999     1.0391     0.6000     0.0000 
   C   7    1.0374     0.5979     1.0374     1.5854     1.7979     1.5854 
  Cl   8    1.1968     1.0356     1.5839     2.0748     2.1598     1.7968 
   C   9    1.5855     1.7979     1.5855     1.0374     0.5980     1.0375 
   O  10    2.0749     2.1599     1.7969     1.1969     1.0357     1.5840 

              C   7     Cl   8      C   9      O  10
              --------------------------------------------
   C   7    0.0000 
  Cl   8    0.5979     0.0000 
   C   9    2.3959     2.7441     0.0000 
   O  10    2.7441     3.1678     0.5979     0.0000 



ATOMIC CHARGES
   C   1   -0.0029338644
   C   2   -0.0059225444
   C   3   -0.0029338644
   C   4    0.0030023035
   C   5    0.0421926296
   C   6    0.0030023035
   C   7    0.1211176227
  Cl   8   -0.1085310414
   C   9    0.2341511459
   O  10   -0.2831446905


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    7  Car  Car   C3    120.004
   3    2    7  Car  Car   C3    119.995
   1    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    119.999
   3    4    5  Car  Car  Car    120.001
   4    5    6  Car  Car  Car    120.001
   4    5    9  Car  Car   C2    119.999
   6    5    9  Car  Car   C2    120.000
   1    6    5  Car  Car  Car    119.999
   2    7    8  Car   C3   Cl    119.992
   5    9   10  Car   C2   O2    120.005


TORSION ANGLES
   2    3    4    5      0.026
   3    4    5    6      0.026
   3    4    5    9    179.974
   4    5    6    1      0.026
   9    5    6    1    179.974
   5    6    1    2      0.026
   4    5    9   10      0.026
   6    5    9   10    179.974
   1    2    7    8      0.026
   3    2    7    8    179.974
   6    1    2    7    179.974
   6    1    2    3      0.026
   7    2    3    4    179.974
   1    2    3    4      0.026